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"results": [
{
"id": "mp-1100047",
"created_at": "2022-09-04T14:42:09.697298Z",
"structure_string": "La20 Sm12 Cr28 Fe4 O80\n1.0\n-0.081857 -0.019558 11.076929\n11.499393 -0.008576 -0.082779\n-5.720785 15.806482 -5.525222\nLa Sm Cr Fe O\n20 12 28 4 80\ndirect\n0.307499 0.062624 0.613089 La\n0.310912 0.561992 0.611653 La\n0.810244 0.062954 0.618517 La\n0.807976 0.565555 0.619915 La\n0.189625 0.433964 0.381382 La\n0.185271 0.437933 0.883049 La\n0.190626 0.934788 0.381317 La\n0.690080 0.436962 0.380136 La\n0.687761 0.934986 0.379027 La\n0.057850 0.307124 0.121179 La\n0.056350 0.297638 0.614896 La\n0.054497 0.808095 0.616887 La\n0.562405 0.300559 0.617222 La\n0.437363 0.193518 0.379029 La\n0.447733 0.198982 0.886551 La\n0.437597 0.691265 0.378251 La\n0.452093 0.700711 0.890058 La\n0.942408 0.199766 0.381705 La\n0.938635 0.191997 0.880061 La\n0.944672 0.693699 0.381483 La\n0.305224 0.062989 0.115868 Sm\n0.306401 0.563347 0.115707 Sm\n0.795789 0.062340 0.114140 Sm\n0.797749 0.559356 0.114903 Sm\n0.187359 0.940268 0.887305 Sm\n0.697537 0.435646 0.887356 Sm\n0.691626 0.935458 0.883767 Sm\n0.057375 0.800821 0.113473 Sm\n0.552684 0.302836 0.117294 Sm\n0.545883 0.802143 0.116377 Sm\n0.560365 0.800470 0.614009 Sm\n0.935213 0.697269 0.883517 Sm\n0.005472 0.000219 0.001654 Cr\n0.001654 0.998291 0.496526 Cr\n0.005841 0.502050 0.001214 Cr\n0.004645 0.503876 0.504253 Cr\n0.504400 0.999505 0.998050 Cr\n0.506294 0.997115 0.499823 Cr\n0.505554 0.499177 0.999136 Cr\n0.506335 0.499919 0.500499 Cr\n0.254076 0.250506 0.000286 Cr\n0.256117 0.250814 0.501348 Cr\n0.251827 0.750933 0.997381 Cr\n0.258814 0.750676 0.503176 Cr\n0.757139 0.247793 0.001246 Cr\n0.752432 0.250922 0.498757 Cr\n0.760293 0.749425 0.004000 Cr\n0.752967 0.750088 0.499623 Cr\n0.115514 0.117893 0.246373 Cr\n0.128538 0.122571 0.753851 Cr\n0.119527 0.625032 0.248208 Cr\n0.620759 0.122321 0.248678 Cr\n0.619492 0.117867 0.751026 Cr\n0.621662 0.624192 0.248849 Cr\n0.618465 0.621316 0.752392 Cr\n0.370913 0.377358 0.248393 Cr\n0.363540 0.876697 0.247802 Cr\n0.867134 0.380005 0.248425 Cr\n0.867955 0.378992 0.751530 Cr\n0.867967 0.873796 0.751966 Cr\n0.117634 0.611765 0.752766 Fe\n0.367530 0.397250 0.751380 Fe\n0.370170 0.893457 0.751144 Fe\n0.862707 0.887987 0.243181 Fe\n0.116294 0.116883 0.478055 O\n0.114395 0.112682 0.973719 O\n0.121698 0.619449 0.485643 O\n0.108753 0.618967 0.971372 O\n0.614747 0.114907 0.475296 O\n0.620903 0.109402 0.973055 O\n0.615086 0.616628 0.477329 O\n0.624621 0.609442 0.974832 O\n0.141408 0.389691 0.025915 O\n0.135152 0.389863 0.523481 O\n0.138751 0.885950 0.025265 O\n0.142488 0.877778 0.521838 O\n0.640718 0.372458 0.025655 O\n0.639894 0.387417 0.524224 O\n0.641071 0.871854 0.026937 O\n0.640538 0.881509 0.525563 O\n0.370802 0.104478 0.481439 O\n0.357510 0.111668 0.971599 O\n0.369395 0.610855 0.481801 O\n0.362292 0.617041 0.976238 O\n0.863026 0.118296 0.476002 O\n0.864139 0.103032 0.973249 O\n0.867246 0.616868 0.480628 O\n0.869132 0.610034 0.974951 O\n0.390127 0.391373 0.027239 O\n0.392611 0.390293 0.524601 O\n0.385223 0.891565 0.023065 O\n0.395768 0.884739 0.525769 O\n0.886592 0.397892 0.027107 O\n0.888718 0.390900 0.525019 O\n0.892611 0.894254 0.030882 O\n0.886502 0.887049 0.521175 O\n0.089965 0.105854 0.123691 O\n0.080101 0.102243 0.629708 O\n0.091738 0.608900 0.123801 O\n0.075778 0.609402 0.633894 O\n0.587632 0.109275 0.125248 O\n0.579289 0.100854 0.625535 O\n0.589793 0.611474 0.125868 O\n0.577038 0.606315 0.626170 O\n0.450533 0.397649 0.375707 O\n0.459920 0.394068 0.865903 O\n0.451521 0.894064 0.373921 O\n0.463886 0.890736 0.865641 O\n0.949790 0.404175 0.376838 O\n0.949123 0.395449 0.876701 O\n0.949682 0.888029 0.360231 O\n0.958148 0.892126 0.876514 O\n0.336817 0.264495 0.124096 O\n0.333120 0.279728 0.635757 O\n0.332082 0.767171 0.122482 O\n0.340923 0.779603 0.632711 O\n0.833962 0.263786 0.124645 O\n0.823190 0.273438 0.625507 O\n0.844667 0.765184 0.129533 O\n0.822261 0.773720 0.625663 O\n0.199213 0.224923 0.372048 O\n0.198056 0.234756 0.877097 O\n0.199176 0.724962 0.377266 O\n0.200271 0.732156 0.869725 O\n0.697114 0.230564 0.374837 O\n0.701771 0.231365 0.876405 O\n0.697176 0.728202 0.375629 O\n0.711660 0.733776 0.878472 O\n0.415940 0.062763 0.244799 O\n0.416810 0.068656 0.749762 O\n0.419514 0.565732 0.244141 O\n0.409308 0.577249 0.751213 O\n0.909030 0.064633 0.244571 O\n0.927252 0.058424 0.749823 O\n0.916444 0.571896 0.244895 O\n0.933318 0.570597 0.756166 O\n0.175291 0.439029 0.251654 O\n0.180772 0.441089 0.749953 O\n0.156186 0.926647 0.245027 O\n0.183569 0.921195 0.755793 O\n0.668182 0.431808 0.245417 O\n0.664563 0.430339 0.755185 O\n0.675887 0.926369 0.243414 O\n0.658156 0.922053 0.749941 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-La-O-Sm",
"density": 6.225833272541902,
"density_atomic": 0.0715886842846366,
"volume": 2011.4910818510925,
"volume_molar": 8.412140578049973,
"formula_full": "La20 Sm12 Cr28 Fe4 O80",
"formula_reduced": "La5Sm3Cr7FeO20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1262.2675188100002,
"energy_per_atom": -8.76574665840278,
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"energy_uncorrected": -1142.31151881,
"band_gap": 0.0597000000000003,
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"is_magnetic": true,
"total_magnetization": 127.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.882000Z",
"spacegroup": 1
},
{
"id": "mp-1200704",
"created_at": "2022-09-04T14:47:33.839239Z",
"structure_string": "H112 C40 S8 N24 Cl8 O16\n1.0\n0.000000 10.062275 0.000000\n0.000000 0.000000 14.637195\n16.449346 0.000000 0.000000\nH C S N Cl O\n112 40 8 24 8 16\ndirect\n0.642476 0.353761 0.433008 H\n0.857524 0.853761 0.066992 H\n0.857524 0.646239 0.933008 H\n0.642476 0.146239 0.566992 H\n0.357524 0.646239 0.566992 H\n0.142476 0.146239 0.933008 H\n0.142476 0.353761 0.066992 H\n0.357524 0.853761 0.433008 H\n0.654135 0.371464 0.537325 H\n0.845865 0.871464 0.962675 H\n0.845865 0.628536 0.037325 H\n0.654135 0.128536 0.462675 H\n0.345865 0.628536 0.462675 H\n0.154135 0.128536 0.037325 H\n0.154135 0.371464 0.962675 H\n0.345865 0.871464 0.537325 H\n0.868177 0.414441 0.568570 H\n0.631823 0.914441 0.931430 H\n0.631823 0.585559 0.068570 H\n0.868177 0.085559 0.431430 H\n0.131823 0.585559 0.431430 H\n0.368177 0.085559 0.068570 H\n0.368177 0.414441 0.931430 H\n0.131823 0.914441 0.568570 H\n0.918942 0.521592 0.610819 H\n0.581058 0.021592 0.889181 H\n0.581058 0.478408 0.110819 H\n0.918942 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"formula_full": "H112 C40 S8 N24 Cl8 O16",
"formula_reduced": "H14C5SN3ClO2",
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"updated_at": "2021-11-28T01:38:16.864000Z",
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},
{
"id": "mp-1202457",
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},
{
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{
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